Re: CM-5

From: heller()at()lisboa.ks.uiuc.EDU (Helmut Heller)
Subject: Re: CM-5
Date: Tue, 10 Mar 92 11:11:51 CST
> Does anyone have information about the suitability of
 > the Thinking Machines CM-5 for running computational
 > chemistry programs.  We are interested in both quantum
 > chemistry and molecular mechanics based calculations
 > (not Monte Carlo).  Does anyone have benchmarks that
 > would indicate the % peak performance that might be
 > expected for such codes.   Please reply  direct to
 > wampler()at()bchiris.biochem.uga.edu
 > Thanks in advance.. JW
 >
 The parallel molecular dynamics program named EGO is currently being ported
 from occam II on a Transputer system to C to run on the CM5. The port is
 almost completed and first benchmarks are to be expected soon.
 Nevertheless one has to keep in mind that without vector units one should not
 expect too much speed.
 Servus, Helmut  (W9/DH0MAD) _________________________________________________
 heller()at()lisboa.ks.uiuc.edu   "Knowledge must be gathered and cannot be
 given"
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 Phone: (217)244-6914,       -------------------------------------------------
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 Theoretical Biophysics Group, Room 3143, MC 251
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